Sugi Predict

Sugi Predict / Compounds / SCHEMBL10163222

SCHEMBL10163222

SCHEMBL10163222

[2H]C([2H])([2H])c1noc(C2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TRPV3 Q8NET8 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ CLPP Q16740 1/20 0.40
▸ TSHR P16473 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10163212 0.92 HSD11B1 (0.49) HSD11B1HDAC4HDAC6ALDH1A1MAPT
SCHEMBL661532 0.86 HSD11B1 (0.55) HSD11B1HDAC4HDAC6MAPTHPGDS
SCHEMBL3145734 0.84 HDAC4 (0.43) HSD11B1HDAC4HDAC6ALDH1A1MAPT
SCHEMBL10163273 0.84 HDAC4 (0.43) HSD11B1HDAC4HDAC6ALDH1A1MAPT
SCHEMBL3145726 0.84 HDAC4 (0.43) HSD11B1HDAC4HDAC6ALDH1A1MAPT
SCHEMBL4226907 0.81 HSD11B1 (0.48) HSD11B1HDAC4HDAC6ALDH1A1MAPT
SCHEMBL31341756 0.80 GPR119 (0.44) HSD11B1KDM4ESMN1; SMN2GPR119
SCHEMBL193158 0.78 HSD11B1 (0.70) HSD11B1ALDH1A1HPGDSKDM4E
SCHEMBL193157 0.78 HSD11B1 (0.70) HSD11B1ALDH1A1HPGDSKDM4E
SCHEMBL2899012 0.78 GPR119 (0.53) HSD11B1MAPTKDM4EHPGDRECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274299-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MAPLIGHT THERAPEUTICS, INC. 2013-10-17 — — US disclosed
US-20120046273-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2012-02-23 — — US disclosed
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MAPLIGHT THERAPEUTICS, INC. 2011-10-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046273-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, CHRM4, CHRM5 HSD11B1 861/4885HDAC4 2829/4885HDAC6 4043/4885
US-20130274299-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 HSD11B1 802/4885HDAC4 2618/4885HDAC6 3406/4885
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, ACHE, CHRM4 HSD11B1 637/4885HDAC4 2812/4885HDAC6 3024/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.